SCHEMBL5468686

SCHEMBL5468686

N=C(N)NNC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
POLB P06746 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MAOA P21397 1/20 0.55
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2897981 0.85 RAB9A (0.65) RAB9ANPC1CTDSP1POLBKDM4E
SCHEMBL400890 0.84 RAB9A (0.77) RAB9ANPC1CTDSP1POLBKDM4E
SCHEMBL12324391 0.82 RAB9A (0.82) RAB9ANPC1CTDSP1POLBKDM4E
SCHEMBL5464442 0.82 APEX1 (0.52) RAB9ANPC1CTDSP1POLBKDM4E
SCHEMBL828586 0.81 ALDH1A1 (0.64) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL8729424 0.80 ALDH1A1 (0.73) POLBKDM4EMAOAPTGS2ALDH1A1
SCHEMBL8726690 0.80 MAOA (0.59) RAB9ANPC1CTDSP1POLBKDM4E
SCHEMBL8726176 0.80 ALDH1A1 (0.73) RAB9ANPC1CTDSP1POLBKDM4E
SCHEMBL1566720 0.79 ALDH1A1 (0.62) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL37273 0.79 ALDH1A1 (0.68) RAB9ANPC1CTDSP1POLBKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP claimed
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US claimed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP claimed
CN-115997016-A Composition comprising nucleic acid nanoparticles having modular functional groups 西克斯福德生物科学有限公司 2023-04-21 CN disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US disclosed
EP-1101793-B1 Heat ageing resistant rubber composition BRIDGESTONE CORP (JP) 2006-01-25 EP disclosed
CN-1659156-A Novel guanidinobenzamides CHIRON CORP (US) 2005-08-24 CN disclosed
EP-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 EP disclosed
EP-1409468-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-04-21 EP disclosed
US-20040043995-A1 Novel triazole derivatives, process for their preparation and pharmaceutical compositions containing them BIGNON ERIC (FR) 2004-03-04 US disclosed
CN-1263528-A N-triazolyl-2-indolecarboxamides and their use in CCK-A agonists SANOFI SYNTHELABO (FR) 2000-08-16 CN disclosed
EP-0984960-A1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI-SYNTHELABO (FR) 2000-03-15 EP disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP disclosed
US-5849469-A Process for forming an image using novel magneta couplers for color photography EASTMAN KODAK COMPANY (US) 1998-12-15 US disclosed
WO-1998051686-A1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI-SYNTHELABO (FR) 1998-11-19 WO disclosed
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US disclosed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP disclosed
EP-0576430-A1 NOVEL MAGENTA COUPLERS FOR COLOUR PHOTOGRAPHY KODAK LIMITED (GB) 1994-01-05 EP disclosed
WO-1992012464-A1 NOVEL MAGENTA COUPLERS FOR COLOUR PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1992-07-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040043995-A1 Novel triazole derivatives, process for their preparation and pharmaceutical compositions containing them CCKAR, CCKBR, NPY1R RAB9A 1127/4885NPC1 1845/4885CTDSP1 3495/4885
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 RAB9A 1141/4885NPC1 372/4885CTDSP1 4551/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.